[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl] 2-methylpropanoate

C19H34O3 — CID 150017281

IUPAC[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl] 2-methylpropanoate
SMILESCC(C)C(=O)OC1CCC(C(C)(C)C2CCC(O)CC2)CC1
InChIInChI=1S/C19H34O3/c1-13(2)18(21)22-17-11-7-15(8-12-17)19(3,4)14-5-9-16(20)10-6-14/h13-17,20H,5-12H2,1-4H3
InChIKeyDENLCBCCNUJQJS-UHFFFAOYSA-N
MW310.48 g/mol
LogP4.32
Rot. Bonds4

About [4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl] 2-methylpropanoate

[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl] 2-methylpropanoate (PubChem CID 150017281) has the molecular formula C19H34O3 and a molecular weight of 310.48 g/mol. Its IUPAC name is [4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl] 2-methylpropanoate.

Molecular Properties

Compound Name[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl] 2-methylpropanoate
PubChem CID150017281
Molecular FormulaC19H34O3
Molecular Weight310.48 g/mol
Exact Mass310.25
IUPAC Name[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl] 2-methylpropanoate
SMILESCC(C)C(=O)OC1CCC(C(C)(C)C2CCC(O)CC2)CC1
InChIInChI=1S/C19H34O3/c1-13(2)18(21)22-17-11-7-15(8-12-17)19(3,4)14-5-9-16(20)10-6-14/h13-17,20H,5-12H2,1-4H3
InChIKeyDENLCBCCNUJQJS-UHFFFAOYSA-N
XLogP4.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl 2-methylpropanoate
CID 54511576
4-[2-[4-[1-[4-[1-[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]oxyethoxy]cyclohexyl]oxyethoxy]cyclohexyl]propan-2-yl]cyclohexan-1-ol
CID 140509318
(4-tert-butylcyclohexyl) 2-aminopropanoate
CID 134275892
(4-hydroxycyclohexyl) 2,2-difluoroacetate
CID 58225902
4-[2-(4-ethoxycyclohexyl)propan-2-yl]cyclohexan-1-ol
CID 70671036
bis(4-tert-butylcyclohexyl) (2R,3R)-2,3-dihydroxybutanedioate
CID 70925701
4-(2-cyclohexylpropan-2-yl)cyclohexan-1-ol
CID 19694020
bis(cyclobutyl 2-methylpropanoate);propan-2-yl 2-methylpropanoate
CID 160656164
[2,3,4,5,6-pentakis(2-methylpropanoyloxy)cyclohexyl] 2-methylpropanoate
CID 4178515
1-propan-2-yloxy-4-[2-(4-propan-2-yloxycyclohexyl)propan-2-yl]cyclohexane
CID 140623503
cyclopropyl 3,3,3-trifluoro-2-methylpropanoate
CID 163905961
4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol
CID 89323282

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl] 2-methylpropanoate?
The IUPAC name of [4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl] 2-methylpropanoate (CID 150017281) is [4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl] 2-methylpropanoate.
What is the SMILES notation for [4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl] 2-methylpropanoate?
The canonical SMILES for [4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl] 2-methylpropanoate is CC(C)C(=O)OC1CCC(C(C)(C)C2CCC(O)CC2)CC1.
What is the InChIKey of [4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl] 2-methylpropanoate?
The InChIKey is DENLCBCCNUJQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O3/c1-13(2)18(21)22-17-11-7-15(8-12-17)19(3,4)14-5-9-16(20)10-6-14/h13-17,20H,5-12H2,1-4H3.
What are the key properties of [4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl] 2-methylpropanoate?
[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl] 2-methylpropanoate has a molecular weight of 310.48 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl] 2-methylpropanoate is sourced from PubChem (CID 150017281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).